N-propan-2-yl-2-[4-(5-pyrazin-2-yl-4-thiophen-2-ylpyrimidin-2-yl)piperazin-1-yl]acetamide

C21H25N7OS — CID 95801226

IUPACN-propan-2-yl-2-[4-(5-pyrazin-2-yl-4-thiophen-2-ylpyrimidin-2-yl)piperazin-1-yl]acetamide
SMILESCC(C)NC(=O)CN1CCN(c2ncc(-c3cnccn3)c(-c3cccs3)n2)CC1
InChIInChI=1S/C21H25N7OS/c1-15(2)25-19(29)14-27-7-9-28(10-8-27)21-24-12-16(17-13-22-5-6-23-17)20(26-21)18-4-3-11-30-18/h3-6,11-13,15H,7-10,14H2,1-2H3,(H,25,29)
InChIKeyBBCFQBGCKPPGPJ-UHFFFAOYSA-N
MW423.55 g/mol
LogP2.31
Rot. Bonds6

About N-propan-2-yl-2-[4-(5-pyrazin-2-yl-4-thiophen-2-ylpyrimidin-2-yl)piperazin-1-yl]acetamide

N-propan-2-yl-2-[4-(5-pyrazin-2-yl-4-thiophen-2-ylpyrimidin-2-yl)piperazin-1-yl]acetamide (PubChem CID 95801226) has the molecular formula C21H25N7OS and a molecular weight of 423.55 g/mol. Its IUPAC name is N-propan-2-yl-2-[4-(5-pyrazin-2-yl-4-thiophen-2-ylpyrimidin-2-yl)piperazin-1-yl]acetamide.

Molecular Properties

Compound NameN-propan-2-yl-2-[4-(5-pyrazin-2-yl-4-thiophen-2-ylpyrimidin-2-yl)piperazin-1-yl]acetamide
PubChem CID95801226
Molecular FormulaC21H25N7OS
Molecular Weight423.55 g/mol
Exact Mass423.18
IUPAC NameN-propan-2-yl-2-[4-(5-pyrazin-2-yl-4-thiophen-2-ylpyrimidin-2-yl)piperazin-1-yl]acetamide
SMILESCC(C)NC(=O)CN1CCN(c2ncc(-c3cnccn3)c(-c3cccs3)n2)CC1
InChIInChI=1S/C21H25N7OS/c1-15(2)25-19(29)14-27-7-9-28(10-8-27)21-24-12-16(17-13-22-5-6-23-17)20(26-21)18-4-3-11-30-18/h3-6,11-13,15H,7-10,14H2,1-2H3,(H,25,29)
InChIKeyBBCFQBGCKPPGPJ-UHFFFAOYSA-N
XLogP2.31
TPSA87.14 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.55
LogP ≤ 52.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of N-propan-2-yl-2-[4-(5-pyrazin-2-yl-4-thiophen-2-ylpyrimidin-2-yl)piperazin-1-yl]acetamide?
The IUPAC name of N-propan-2-yl-2-[4-(5-pyrazin-2-yl-4-thiophen-2-ylpyrimidin-2-yl)piperazin-1-yl]acetamide (CID 95801226) is N-propan-2-yl-2-[4-(5-pyrazin-2-yl-4-thiophen-2-ylpyrimidin-2-yl)piperazin-1-yl]acetamide.
What is the SMILES notation for N-propan-2-yl-2-[4-(5-pyrazin-2-yl-4-thiophen-2-ylpyrimidin-2-yl)piperazin-1-yl]acetamide?
The canonical SMILES for N-propan-2-yl-2-[4-(5-pyrazin-2-yl-4-thiophen-2-ylpyrimidin-2-yl)piperazin-1-yl]acetamide is CC(C)NC(=O)CN1CCN(c2ncc(-c3cnccn3)c(-c3cccs3)n2)CC1.
What is the InChIKey of N-propan-2-yl-2-[4-(5-pyrazin-2-yl-4-thiophen-2-ylpyrimidin-2-yl)piperazin-1-yl]acetamide?
The InChIKey is BBCFQBGCKPPGPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N7OS/c1-15(2)25-19(29)14-27-7-9-28(10-8-27)21-24-12-16(17-13-22-5-6-23-17)20(26-21)18-4-3-11-30-18/h3-6,11-13,15H,7-10,14H2,1-2H3,(H,25,29).
What are the key properties of N-propan-2-yl-2-[4-(5-pyrazin-2-yl-4-thiophen-2-ylpyrimidin-2-yl)piperazin-1-yl]acetamide?
N-propan-2-yl-2-[4-(5-pyrazin-2-yl-4-thiophen-2-ylpyrimidin-2-yl)piperazin-1-yl]acetamide has a molecular weight of 423.55 g/mol, XLogP of 2.31, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-propan-2-yl-2-[4-(5-pyrazin-2-yl-4-thiophen-2-ylpyrimidin-2-yl)piperazin-1-yl]acetamide is sourced from PubChem (CID 95801226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).